diethyl 2-[[4-[(4-methylphenyl)sulfonyl-[2-(oxiran-2-yl)ethyl]amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(4-methylphenyl)sulfonyl-[2-(oxiran-2-yl)ethyl]amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[2-(oxiran-2-yl)ethyl-(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(4-methylphenyl)sulfonyl-[2-(2-oxiranyl)ethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(4-methylphenyl)sulfonyl-[2-(oxiran-2-yl)ethyl]amino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[2-(oxiran-2-yl)ethyl-tosyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C27H34N2O8S MolecularWeight: 546.63246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CCC2CO2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CCC2CO2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H34N2O8S/c1-4-35-25(30)15-14-24(27(32)36-5-2)28-26(31)20-8-10-21(11-9-20)29(17-16-22-18-37-22)38(33,34)23-12-6-19(3)7-13-23/h6-13,22,24H,4-5,14-18H2,1-3H3,(H,28,31)